Reaction Details
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Report a problem with these dataTarget
Bile acid receptor
Ligand
BDBM50041476
Substrate
n/a
Meas. Tech.
ChEMBL_1443618 (CHEMBL3378990)
EC50
112±n/a nM
Citation
Smalley, TL; Boggs, S; Caravella, JA; Chen, L; Creech, KL; Deaton, DN; Kaldor, I; Parks, DJ Novel heterocyclic scaffolds of GW4064 as farnesoid X receptor agonists. Bioorg Med Chem Lett 25:280-4 (2014) [PubMed] Article More Info.:
Target
Name:
Bile acid receptor
Synonyms:
BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor
Type:
Nuclear Receptor
Mol. Mass.:
55916.24
Organism:
Homo sapiens (Human)
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
Inhibitor
Name:
BDBM50041476
Synonyms:
CHEMBL3357421
Type:
Small organic molecule
Emp. Form.:
C27H22Cl3N3O3
Mol. Mass.:
542.841
SMILES:
CC(C)c1nnn(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(39.02,-25.41,;38.71,-26.92,;37.25,-27.41,;39.86,-27.94,;41.37,-27.61,;42.14,-28.94,;41.12,-30.09,;39.72,-29.47,;38.39,-30.25,;37.05,-29.48,;35.72,-30.26,;34.38,-29.49,;33.05,-30.27,;33.06,-31.8,;31.73,-32.58,;30.4,-31.81,;29.07,-32.59,;29.07,-34.14,;27.73,-34.91,;26.4,-34.14,;26.4,-32.6,;27.73,-31.82,;25.06,-31.83,;25.06,-30.29,;23.73,-32.6,;34.4,-32.57,;34.4,-34.11,;35.73,-31.8,;41.09,-31.63,;39.74,-32.37,;38.42,-31.58,;39.72,-33.91,;41.04,-34.71,;42.39,-33.95,;42.41,-32.41,;43.75,-31.66,)|
Structure:
